1-oxidanylidene-7-[2-(6-phenethylsulfonylhexylamino)ethyl]-2,3-dihydro-1,3-benzothiazol-4-ol hydrochloride

Systemtic Name: 1-oxidanylidene-7-[2-(6-phenethylsulfonylhexylamino)ethyl]-2,3-dihydro-1,3-benzothiazol-4-ol hydrochloride Openeye Name: 1-oxo-7-[2-(6-phenethylsulfonylhexylamino)ethyl]-2,3-dihydro-1,3-benzothiazol-4-ol hydrochloride CAS Name: 1-oxo-7-[2-(6-phenethylsulfonylhexylamino)ethyl]-2,3-dihydro-1,3-benzothiazol-4-ol hydrochloride IUPAC Name: 1-oxo-7-[2-(6-phenethylsulfonylhexylamino)ethyl]-2,3-dihydro-1,3-benzothiazol-4-ol hydrochloride Traditional Name: 1-keto-7-[2-(6-phenethylsulfonylhexylamino)ethyl]-2,3-dihydro-1,3-benzothiazol-4-ol hydrochloride Formula: C23H33ClN2O4S2 MolecularWeight: 501.10212

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(C=CC(=C2S1=O)CCNCCCCCCS(=O)(=O)CCC3=CC=CC=C3)O.Cl

Isomeric SMILES

C1NC2=C(C=CC(=C2S1=O)CCNCCCCCCS(=O)(=O)CCC3=CC=CC=C3)O.Cl

InChI

InChI=1S/C23H32N2O4S2.ClH/c26-21-11-10-20(23-22(21)25-18-30(23)27)12-15-24-14-6-1-2-7-16-31(28,29)17-13-19-8-4-3-5-9-19;/h3-5,8-11,24-26H,1-2,6-7,12-18H2;1H